Structure of PDB 3rx5 Chain A

Receptor sequence
>3rx5A (length=530) Species: 1388 (Alicyclobacillus acidocaldarius subsp. acidocaldarius) [Search protein sequence]
VPKSIFYNQVGYLISGDKRFWIQAHEPQPFALRTPEGQAVFAGMTKPVGG
NWYVGDFTALRVPGTYTLTVGTLEARVVIHRRAYRDVLEAMLRFFDYQLC
GVVLPEDEAGPWAHGACHTSDAKVFGTERALACPGGWHDAGDYGKYTVPA
AKAVADLLLAHEYFPAALAHVRPMRSVHRAPHLPPALEVAREEIAWLLTM
QDPATGGVYHKVTTPSFPPLDTRPEDDDAPLVLSPISYAATATFCAAMAH
AALVYRPFDPALSSCCADAARRAYAWLGAHEMQPFHNPDGILTGEYGDAE
LRDELLWASCALLRMTGDSAWARVCEPLLDLDLPWELGWADVALYGVMDY
LRTPRAAVSDDVRNKVKSRLLRELDALAAMAESHPFGIPMRDDDFIWGSN
MVLLNRAMAFLLAEGVGVLHPAAHTVAQRAADYLFGANPLGQCYVTGFGQ
RPVRHPHHRPSVADDVDHPVPGMVVGGPNRHLQDEIARAQLAGRPAMEAY
IDHQDSYSTNEVAVYWNSPAVFVIAALLEA
3D structure
PDB3rx5 A fortuitous binding of inhibitors-derived isofagomine for inverting GH9 beta-glycosidase
ChainA
Resolution1.99 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D143 D146 Y300 E515
Catalytic site (residue number reindexed from 1) D139 D142 Y296 E511
Enzyme Commision number 3.2.1.4: cellulase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 BGC A F221 H461 R463 E515 F217 H457 R459 E511
BS02 CA A D302 E304 D307 E308 A344 D298 E300 D303 E304 A340
BS03 ZN A C104 C121 H122 H142 C100 C117 H118 H138
BS04 G2I A A144 D146 Y300 W343 W401 Q487 E515 Y519 W520 A140 D142 Y296 W339 W397 Q483 E511 Y515 W516 PDBbind-CN: -logKd/Ki=6.27,Ki=540nM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3rx5, PDBe:3rx5, PDBj:3rx5
PDBsum3rx5
PubMed21785782
UniProtQ9AJS0

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